Materials Data on YbMn2 by Materials Project

doi:10.17188/1714847

Title: Materials Data on YbMn2 by Materials Project

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Abstract

YbMn2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Yb is bonded in a 12-coordinate geometry to four equivalent Yb and twelve Mn atoms. There are one shorter (3.34 Å) and three longer (3.37 Å) Yb–Yb bond lengths. There are a spread of Yb–Mn bond distances ranging from 3.22–3.25 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded to six equivalent Yb and six equivalent Mn atoms to form a mixture of corner, edge, and face-sharing MnYb6Mn6 cuboctahedra. All Mn–Mn bond lengths are 2.68 Å. In the second Mn site, Mn is bonded to six equivalent Yb and six Mn atoms to form a mixture of corner, edge, and face-sharing MnYb6Mn6 cuboctahedra. There are two shorter (2.58 Å) and two longer (2.93 Å) Mn–Mn bond lengths.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1102024

DOE Contract Number:: AC02-05CH11231; EDCBEE

Research Org.:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Collaborations:: MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; YbMn2; Mn-Yb

OSTI Identifier:: 1714847

DOI:: https://doi.org/10.17188/1714847

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                    The Materials Project. Materials Data on YbMn2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1714847.

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                    The Materials Project. Materials Data on YbMn2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1714847

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                    The Materials Project. 2020.  
"Materials Data on YbMn2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1714847.  https://www.osti.gov/servlets/purl/1714847. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1714847,

  title        = {Materials Data on YbMn2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {YbMn2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Yb is bonded in a 12-coordinate geometry to four equivalent Yb and twelve Mn atoms. There are one shorter (3.34 Å) and three longer (3.37 Å) Yb–Yb bond lengths. There are a spread of Yb–Mn bond distances ranging from 3.22–3.25 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded to six equivalent Yb and six equivalent Mn atoms to form a mixture of corner, edge, and face-sharing MnYb6Mn6 cuboctahedra. All Mn–Mn bond lengths are 2.68 Å. In the second Mn site, Mn is bonded to six equivalent Yb and six Mn atoms to form a mixture of corner, edge, and face-sharing MnYb6Mn6 cuboctahedra. There are two shorter (2.58 Å) and two longer (2.93 Å) Mn–Mn bond lengths.},

  doi          = {10.17188/1714847},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1714847

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